Information card for entry 7209599

Structure parameters

• Formula: C11 H9 N3 Ni O6
• Calculated formula: C11 H9 N3 Ni O6
• Title of publication: Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties
• Authors of publication: Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 4107
• a: 10.4369 ± 0.0003 Å
• b: 8.4152 ± 0.0002 Å
• c: 13.908 ± 0.0004 Å
• α: 90°
• β: 96.836 ± 0.003°
• γ: 90°
• Cell volume: 1212.84 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No